methyl (2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H16N2O6/c1-23-15(22)11(8-18)16-12(19)7-17-13(20)6-9-4-2-3-5-10(9)14(17)21/h2-5,11,18H,6-8H2,1H3,(H,16,19)/t11-/m0/s1